3-bromo-N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide
Chemical Structure Depiction of
3-bromo-N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide
3-bromo-N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide
Compound characteristics
Compound ID: | K617-0137 |
Compound Name: | 3-bromo-N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide |
Molecular Weight: | 578.46 |
Molecular Formula: | C29 H28 Br N3 O5 |
Smiles: | COc1ccc(/C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(c2cccc(c2)[Br])=O)cc1OC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.3172 |
logD: | 1.9317 |
logSw: | -4.4952 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.771 |
InChI Key: | WMIOLZHXVYHYJF-UHFFFAOYSA-N |